2-amino-N,N-diethyl-3,5-dinitrobenzamide

C11H14N4O5 — CID 2832206

IUPAC2-amino-N,N-diethyl-3,5-dinitrobenzamide
SMILESCCN(CC)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N
InChIInChI=1S/C11H14N4O5/c1-3-13(4-2)11(16)8-5-7(14(17)18)6-9(10(8)12)15(19)20/h5-6H,3-4,12H2,1-2H3
InChIKeyJEKZTAIOGZQAJM-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.57
Rot. Bonds5

About 2-amino-N,N-diethyl-3,5-dinitrobenzamide

2-amino-N,N-diethyl-3,5-dinitrobenzamide (PubChem CID 2832206) has the molecular formula C11H14N4O5 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-amino-N,N-diethyl-3,5-dinitrobenzamide.

Molecular Properties

Compound Name2-amino-N,N-diethyl-3,5-dinitrobenzamide
PubChem CID2832206
Molecular FormulaC11H14N4O5
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name2-amino-N,N-diethyl-3,5-dinitrobenzamide
SMILESCCN(CC)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N
InChIInChI=1S/C11H14N4O5/c1-3-13(4-2)11(16)8-5-7(14(17)18)6-9(10(8)12)15(19)20/h5-6H,3-4,12H2,1-2H3
InChIKeyJEKZTAIOGZQAJM-UHFFFAOYSA-N
XLogP1.57
TPSA132.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-2,5,7-trinitro-9-oxofluorene-4-carboxamide
CID 2775574
N,N-diethyl-2-hydroxy-5-methyl-3-nitrobenzamide
CID 14980172
9-(dicyanomethylidene)-N,N-diethyl-2,5,7-trinitrofluorene-4-carboxamide
CID 2775737
1-(2-amino-3,5-dinitrophenyl)-2,2-dichloroethanone
CID 2786287
N,N-diethyl-5-hydroxy-2-nitrobenzamide
CID 102740327
2-[bis(2-chloroethyl)amino]-N-ethyl-N-(2-hydroxyethyl)-3,5-dinitrobenzamide
CID 87578459
2-amino-N-butyl-N-ethyl-5-nitrobenzamide
CID 62072954
2-amino-N-ethyl-3-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 115678872
2-amino-N-ethyl-5-nitro-N-propylpyridine-3-carboxamide
CID 104585991
2-amino-N-[2-(dimethylamino)ethyl]-5-nitro-N-propylbenzamide
CID 62161614
cyanomethyl 2-amino-3,5-dinitrobenzoate
CID 89332932
2-bromo-3,5-dinitrobenzoic acid;ethane
CID 143639800

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-diethyl-3,5-dinitrobenzamide?
The IUPAC name of 2-amino-N,N-diethyl-3,5-dinitrobenzamide (CID 2832206) is 2-amino-N,N-diethyl-3,5-dinitrobenzamide.
What is the SMILES notation for 2-amino-N,N-diethyl-3,5-dinitrobenzamide?
The canonical SMILES for 2-amino-N,N-diethyl-3,5-dinitrobenzamide is CCN(CC)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N.
What is the InChIKey of 2-amino-N,N-diethyl-3,5-dinitrobenzamide?
The InChIKey is JEKZTAIOGZQAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O5/c1-3-13(4-2)11(16)8-5-7(14(17)18)6-9(10(8)12)15(19)20/h5-6H,3-4,12H2,1-2H3.
What are the key properties of 2-amino-N,N-diethyl-3,5-dinitrobenzamide?
2-amino-N,N-diethyl-3,5-dinitrobenzamide has a molecular weight of 282.26 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-diethyl-3,5-dinitrobenzamide is sourced from PubChem (CID 2832206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).